3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole

C11H17N3O — CID 103832637

IUPAC3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESC1CC[C@@H](c2nc(CC3CC3)no2)NC1
InChIInChI=1S/C11H17N3O/c1-2-6-12-9(3-1)11-13-10(14-15-11)7-8-4-5-8/h8-9,12H,1-7H2/t9-/m0/s1
InChIKeyGLOOPRQAKDIWQI-VIFPVBQESA-N
MW207.28 g/mol
LogP1.84
Rot. Bonds3

About 3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole

3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 103832637) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID103832637
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESC1CC[C@@H](c2nc(CC3CC3)no2)NC1
InChIInChI=1S/C11H17N3O/c1-2-6-12-9(3-1)11-13-10(14-15-11)7-8-4-5-8/h8-9,12H,1-7H2/t9-/m0/s1
InChIKeyGLOOPRQAKDIWQI-VIFPVBQESA-N
XLogP1.84
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 131042802
5-[(2S)-piperidin-2-yl]-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56722200
5-pyrrolidin-2-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115080912
3-(oxolan-2-ylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832525
3-[(1-ethylpyrrolidin-3-yl)methyl]-5-piperidin-2-yl-1,2,4-oxadiazole
CID 115080779
3-(methylsulfanylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94552140
3-(methoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94068988
2-[(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiane 1,1-dioxide
CID 115080807
3-(3-methylbutyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914882
3-(ethoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915006
5-(azepan-2-yl)-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole
CID 65131185
5-piperidin-2-yl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole
CID 115080806

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (CID 103832637) is 3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is C1CC[C@@H](c2nc(CC3CC3)no2)NC1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is GLOOPRQAKDIWQI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-6-12-9(3-1)11-13-10(14-15-11)7-8-4-5-8/h8-9,12H,1-7H2/t9-/m0/s1.
What are the key properties of 3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 103832637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).